data_4762 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N relaxation data and model-free parameters for the N-terminal receiver domain of wild-type unphosphorylated NtrC receiver domain (NtrCr) ; _BMRB_accession_number 4762 _BMRB_flat_file_name bmr4762.str _Entry_type original _Submission_date 2000-06-14 _Accession_date 2000-06-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; This BMRB deposition contains 15N relaxation parameters and model-free analysis results for 15N-labeled receiver domain of the wild-type NtrC protein of S. typhimurium in its unphosphorylated (inactive) state (NtrCr). This study was undertaken in conjunction with similar experiments performed on two related forms of this protein, the partially active (but unphosphorylated) double mutant NtrCr(D86N/A89T), and the fully active, phosphorylated wild-type domain, P-NtrCr. The results obtained on the other two forms are contained in separate BMRB depositions. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kern D. . . 2 Volkman B. F. . 3 Wemmer D. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 98 "T2 relaxation values" 196 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4527 'Chemical shifts of NtrC wild type' 4528 'Chemical shifts of NtrC phosporylated' 4763 'Relaxation data of NtrCr double mutant (D86N/A89T)' 4764 'Relaxation data of NtrCr wt phosporylated' stop_ _Original_release_date 2002-04-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Two-state allosteric behavior in a single domain signaling protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman Brian F. . 2 Lipson Doron . . 3 Wemmer David E. . 4 Kern Dorothee . . stop_ _Journal_abbreviation Science _Journal_volume 291 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2429 _Page_last 2433 _Year 2001 _Details . loop_ _Keyword 'conformational rearrangement' dynamics phosphorylation 'receiver domain' 'signal transduction' 'two-component system' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Volkman BF, Nohaile MJ, Amy NK, Kustu S, Wemmer DE. Three-dimensional solution structure of the N-terminal receiver domain of NTRC. Biochemistry. 1995 Jan 31;34(4):1413-24. ; _Citation_title 'Three-dimensional solution structure of the N-terminal receiver domain of NTRC.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 7827089 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman 'B. F.' F. . 2 Nohaile 'M. J.' J. . 3 Amy 'N. K.' K. . 4 Kustu S. . . 5 Wemmer 'D. E.' E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 34 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1413 _Page_last 1424 _Year 1995 _Details ; NTRC is a transcriptional enhancer binding protein whose N-terminal domain is a member of the family of receiver domains of two-component regulatory systems. Using 3D and 4D NMR spectroscopy, we have completed the 1H, 15N, and 13C assignments and determined the solution structure of the N-terminal receiver domain of the NTRC protein. Determination of the three-dimensional structure was carried out with the program X-PLOR (Brunger, 1992) using a total of 915 NMR-derived distance and dihedral angle restraints. The resultant family of structures has an average root mean square deviation of 0.81 A from the average structure for the backbone atoms involved in well-defined secondary structure. The structure is comprised of five alpha-helices and a five-stranded parallel beta-sheet, in a (beta/alpha)5 topology. Comparison of the solution structure of the NTRC receiver domain with the crystal structures of the homologous protein CheY in both the Mg(2+)-free and Mg(2+)-bound forms [Stock, A.M., Mottonen, J. M., Stock, J. B., & Schutt, C. E. (1989) Nature 337, 745-749; Volz, K., & Matsumura, P. (1991) J. Biol. Chem. 296, 15511-15519; Stock, A. M., Martinez-Hackert, E., Rasmussen, B. F., West, A. H., Stock, J. B., Ringe, D., & Petsko, G. A. (1993) Biochemistry 32, 13375-13380; Bellsolell, L., Prieto, J., Serrano, L., & Coll, M. (1994) J. Mol. Biol. 238, 489-495] reveals a very similar fold, with the only significant difference occurring in the positioning of helix 4 relative to the rest of the protein. Examination of the conformation of consensus residues of the receiver domain superfamily [Volz, K. (1993) Biochemistry 32, 11741-11753] in the structures of the NTRC receiver domain and CheY establishes the structural importance of residues whose side chains are involved in hydrogen bonding or hydrophobic core interactions. The importance of some nonconsensus residues which may be conserved for their ability to fulfill helix capping roles is also discussed. ; save_ ################################## # Molecular system description # ################################## save_system_NtrC _Saveframe_category molecular_system _Mol_system_name 'NITROGEN REGULATION PROTEIN' _Abbreviation_common NtrC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NITROGEN REGULATION PROTEIN' $NtrCr stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'enhancer-binding protein' 'transcriptional regulation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NtrCr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Nitrogen regulatory protein C N-terminal receiver domain' _Abbreviation_common NtrCr _Molecular_mass . _Mol_thiol_state 'all free' _Details 'This corresponds to the N-terminal 124 residues of the full-length NtrC protein.' ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSDIRMPGM DGLALLKQIKQRHPMLPVII MTAHSDLDAAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ARG 4 GLY 5 ILE 6 VAL 7 TRP 8 VAL 9 VAL 10 ASP 11 ASP 12 ASP 13 SER 14 SER 15 ILE 16 ARG 17 TRP 18 VAL 19 LEU 20 GLU 21 ARG 22 ALA 23 LEU 24 ALA 25 GLY 26 ALA 27 GLY 28 LEU 29 THR 30 CYS 31 THR 32 THR 33 PHE 34 GLU 35 ASN 36 GLY 37 ASN 38 GLU 39 VAL 40 LEU 41 ALA 42 ALA 43 LEU 44 ALA 45 SER 46 LYS 47 THR 48 PRO 49 ASP 50 VAL 51 LEU 52 LEU 53 SER 54 ASP 55 ILE 56 ARG 57 MET 58 PRO 59 GLY 60 MET 61 ASP 62 GLY 63 LEU 64 ALA 65 LEU 66 LEU 67 LYS 68 GLN 69 ILE 70 LYS 71 GLN 72 ARG 73 HIS 74 PRO 75 MET 76 LEU 77 PRO 78 VAL 79 ILE 80 ILE 81 MET 82 THR 83 ALA 84 HIS 85 SER 86 ASP 87 LEU 88 ASP 89 ALA 90 ALA 91 VAL 92 SER 93 ALA 94 TYR 95 GLN 96 GLN 97 GLY 98 ALA 99 PHE 100 ASP 101 TYR 102 LEU 103 PRO 104 LYS 105 PRO 106 PHE 107 ASP 108 ILE 109 ASP 110 GLU 111 ALA 112 VAL 113 ALA 114 LEU 115 VAL 116 GLU 117 ARG 118 ALA 119 ILE 120 SER 121 HIS 122 TYR 123 GLN 124 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4527 NtrCr 100.00 124 100.00 100.00 1.32e-84 BMRB 4528 P-NtrCr 100.00 124 100.00 100.00 1.32e-84 BMRB 4763 NtrCr 100.00 124 98.39 99.19 1.22e-83 BMRB 4764 NtrCr 100.00 124 99.19 99.19 1.47e-83 BMRB 5303 NR(I) 100.00 124 100.00 100.00 1.32e-84 PDB 1DC7 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' 99.19 124 100.00 100.00 9.92e-84 PDB 1DC8 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' 99.19 124 99.19 99.19 9.40e-83 PDB 1J56 "Minimized Average Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structure Incorporating Active Site Contac" 100.00 124 100.00 100.00 1.32e-84 PDB 1KRW "Solution Structure And Backbone Dynamics Of Beryllofluoride- Activated Ntrc Receiver Domain" 99.19 124 100.00 100.00 9.81e-84 PDB 1KRX "Solution Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structures Incorporating Active Site Contacts" 100.00 124 100.00 100.00 1.32e-84 PDB 1NTR "Solution Structure Of The N-Terminal Receiver Domain Of Ntrc" 100.00 124 100.00 100.00 1.32e-84 DBJ BAB38213 "response regulator for gln GlnG [Escherichia coli O157:H7 str. Sakai]" 100.00 469 98.39 98.39 8.86e-79 DBJ BAE77441 "fused DNA-binding response regulator in two-component regulatory system with GlnL, nitrogen regulator I (NRI) [Escherichia coli" 100.00 469 98.39 98.39 8.86e-79 DBJ BAG79675 "two-component regulator protein [Escherichia coli SE11]" 100.00 469 98.39 98.39 9.66e-79 DBJ BAI27885 "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" 100.00 469 98.39 98.39 8.86e-79 DBJ BAI33008 "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" 100.00 469 98.39 98.39 9.66e-79 EMBL CAA28808 "unnamed protein product [Escherichia coli K-12]" 100.00 468 98.39 98.39 8.02e-79 EMBL CAA59425 "nitrogen regulatory protein C [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 469 100.00 100.00 1.88e-80 EMBL CAD03095 "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 469 99.19 99.19 1.57e-79 EMBL CAP78325 "Nitrogen regulation protein NR(I) [Escherichia coli LF82]" 100.00 469 98.39 98.39 1.17e-78 EMBL CAQ34219 "NtrC transcriptional dual regulator, subunit of NtrC-Phosphorylated transcriptional dual regulator [Escherichia coli BL21(DE3)]" 100.00 469 98.39 98.39 9.66e-79 GB AAB03002 "CG Site No. 702 [Escherichia coli str. K-12 substr. MG1655]" 100.00 469 98.39 98.39 8.86e-79 GB AAC76865 "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" 100.00 469 98.39 98.39 8.86e-79 GB AAG59057 "response regulator for gln (sensor glnL) (nitrogen regulator I, NRI) [Escherichia coli O157:H7 str. EDL933]" 100.00 469 98.39 98.39 6.78e-79 GB AAL22844 "EBP family response regulator in two-component regulatory system with GlnL [Salmonella enterica subsp. enterica serovar Typhimu" 100.00 469 100.00 100.00 1.74e-80 GB AAN45373 "sensor glnL response regulator (nitrogen regulator I, NRI) [Shigella flexneri 2a str. 301]" 100.00 469 98.39 98.39 9.56e-79 PIR AC0950 "Two-component system, response regulator STY3876 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 469 99.19 99.19 1.57e-79 PIR E86074 "hypothetical protein glnG [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 469 98.39 98.39 6.78e-79 REF NP_290493 "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. EDL933]" 100.00 469 98.39 98.39 6.78e-79 REF NP_312817 "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. Sakai]" 100.00 469 98.39 98.39 8.86e-79 REF NP_418304 "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" 100.00 469 98.39 98.39 8.86e-79 REF NP_458044 "two-component system response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 469 99.19 99.19 1.57e-79 REF NP_462885 "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 469 100.00 100.00 1.74e-80 SP P0AFB8 "RecName: Full=Nitrogen regulation protein NR(I) [Escherichia coli K-12]" 100.00 469 98.39 98.39 8.86e-79 SP P0AFB9 "RecName: Full=Nitrogen regulation protein NR(I) [Escherichia coli O157:H7]" 100.00 469 98.39 98.39 8.86e-79 SP P41789 "RecName: Full=Nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 469 100.00 100.00 1.74e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NtrCr Bacteria 602 Eubacteria . Salmonella typhimurium stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NtrCr 'recombinant technology' Bacteria Escherichia coli BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NtrCr 0.9 mM '[U-99% 15N]' 'phosphate buffer' 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 95.0 loop_ _Task processing stop_ _Details 'Commercial software from MSI' save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.1 loop_ _Task collection stop_ _Details BRUKER save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version 4.01 loop_ _Task 'data analysis' stop_ _Details ; Provided by Prof. Arthur G. Palmer of Columbia University. Palmer, A. G.,Rance, M. & Wright, P. E. (1991) J. Am. Chem. Soc. 113, 4371-4380. Mandel, A. M.,Akke, M. & Palmer, A. G. (1995) J. Mol. Bio 246, 144-163. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 5 mM pH 6.75 0.2 n/a pressure 1 . atm temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ save_T1_set_750 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name 'NITROGEN REGULATION PROTEIN' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ARG N 1.670 0.080 2 4 GLY N 1.480 0.070 3 5 ILE N 1.160 0.060 4 6 VAL N 1.180 0.060 5 7 TRP N 1.270 0.060 6 8 VAL N 1.180 0.060 7 9 VAL N 1.410 0.070 8 10 ASP N 1.400 0.070 9 11 ASP N 1.420 0.070 10 12 ASP N 1.500 0.070 11 13 SER N 1.540 0.080 12 14 SER N 1.670 0.150 13 15 ILE N 1.490 0.070 14 16 ARG N 1.480 0.070 15 17 TRP N 1.270 0.060 16 18 VAL N 1.340 0.070 17 19 LEU N 1.470 0.070 18 20 GLU N 1.180 0.060 19 21 ARG N 1.270 0.060 20 22 ALA N 1.270 0.060 21 23 LEU N 1.200 0.060 22 24 ALA N 1.200 0.060 23 25 GLY N 1.160 0.060 24 26 ALA N 1.330 0.070 25 27 GLY N 1.310 0.070 26 28 LEU N 1.330 0.070 27 29 THR N 1.180 0.060 28 30 CYS N 1.350 0.070 29 31 THR N 1.200 0.060 30 32 THR N 1.340 0.070 31 33 PHE N 1.270 0.060 32 34 GLU N 1.350 0.070 33 35 ASN N 1.350 0.090 34 36 GLY N 1.270 0.100 35 37 ASN N 1.480 0.070 36 38 GLU N 1.320 0.070 37 39 VAL N 1.170 0.060 38 40 LEU N 1.320 0.070 39 41 ALA N 1.350 0.070 40 42 ALA N 1.120 0.060 41 43 LEU N 1.200 0.060 42 44 ALA N 1.300 0.070 43 45 SER N 1.400 0.070 44 46 LYS N 1.200 0.060 45 47 THR N 1.150 0.060 46 49 ASP N 1.230 0.060 47 50 VAL N 1.120 0.060 48 51 LEU N 1.350 0.070 49 52 LEU N 1.170 0.060 50 53 SER N 1.280 0.060 51 54 ASP N 1.460 0.070 52 59 GLY N 1.680 0.080 53 63 LEU N 1.320 0.070 54 64 ALA N 1.500 0.080 55 65 LEU N 1.210 0.200 56 68 GLN N 1.380 0.070 57 69 ILE N 1.170 0.060 58 70 LYS N 1.330 0.070 59 71 GLN N 1.300 0.060 60 72 ARG N 1.400 0.070 61 73 HIS N 1.230 0.060 62 74 PRO N 1.630 0.080 63 75 MET N 1.280 0.060 64 76 LEU N 1.260 0.060 65 79 ILE N 1.310 0.070 66 81 MET N 1.440 0.070 67 82 THR N 1.300 0.060 68 83 ALA N 1.400 0.070 69 85 SER N 1.750 0.260 70 86 ASP N 1.580 0.180 71 87 LEU N 1.520 0.080 72 88 ASP N 1.430 0.070 73 89 ALA N 1.380 0.070 74 90 ALA N 1.440 0.070 75 91 VAL N 1.290 0.060 76 92 SER N 1.400 0.070 77 98 ALA N 1.290 0.060 78 99 PHE N 1.410 0.160 79 100 ASP N 1.610 0.080 80 102 LEU N 1.290 0.060 81 106 PHE N 1.260 0.060 82 107 ASP N 1.240 0.060 83 108 ILE N 1.300 0.060 84 109 ASP N 1.230 0.060 85 110 GLU N 1.150 0.060 86 112 VAL N 1.130 0.060 87 113 ALA N 1.340 0.070 88 114 LEU N 1.360 0.070 89 115 VAL N 1.320 0.070 90 116 GLU N 1.270 0.060 91 117 ARG N 1.240 0.060 92 118 ALA N 1.150 0.060 93 119 ILE N 1.220 0.060 94 120 SER N 1.460 0.070 95 121 HIS N 1.820 0.250 96 122 TYR N 1.650 0.080 97 123 GLN N 1.710 0.140 98 124 GLU N 1.220 0.100 stop_ save_ save_T2_relaxation_750 _Saveframe_category T2_relaxation _Details . loop_ _Experiment_label $2D_1H-15N_HSQC_1 stop_ loop_ _Sample_label $sample_1 $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name 'NITROGEN REGULATION PROTEIN' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ARG N 5.470 0.270 . . 2 4 GLY N 6.670 0.330 . . 3 5 ILE N 9.590 0.480 . . 4 6 VAL N 10.780 0.540 . . 5 7 TRP N 10.350 0.520 . . 6 8 VAL N 10.750 0.540 . . 7 9 VAL N 9.320 0.470 . . 8 10 ASP N 11.770 0.590 . . 9 11 ASP N 14.000 0.700 . . 10 12 ASP N 15.080 0.750 . . 11 13 SER N 12.150 0.610 . . 12 14 SER N 11.890 0.590 . . 13 15 ILE N 10.700 0.540 . . 14 16 ARG N 15.550 0.780 . . 15 17 TRP N 11.550 0.580 . . 16 18 VAL N 10.730 0.540 . . 17 19 LEU N 10.360 0.790 . . 18 20 GLU N 10.150 0.510 . . 19 21 ARG N 16.490 1.200 . . 20 22 ALA N 11.000 0.550 . . 21 23 LEU N 9.790 0.490 . . 22 24 ALA N 10.570 0.530 . . 23 25 GLY N 9.930 0.500 . . 24 26 ALA N 9.280 0.460 . . 25 27 GLY N 9.150 0.460 . . 26 28 LEU N 10.350 0.520 . . 27 29 THR N 9.710 0.490 . . 28 30 CYS N 10.170 0.510 . . 29 31 THR N 8.760 0.440 . . 30 32 THR N 10.050 0.500 . . 31 33 PHE N 9.640 0.480 . . 32 34 GLU N 10.540 0.530 . . 33 35 ASN N 16.230 1.100 . . 34 36 GLY N 16.950 1.890 . . 35 37 ASN N 10.660 0.530 . . 36 38 GLU N 10.810 0.540 . . 37 39 VAL N 9.840 0.490 . . 38 40 LEU N 11.730 0.590 . . 39 41 ALA N 10.620 0.530 . . 40 42 ALA N 9.530 0.480 . . 41 43 LEU N 10.750 0.540 . . 42 44 ALA N 10.960 0.550 . . 43 45 SER N 9.020 0.450 . . 44 46 LYS N 8.660 0.430 . . 45 47 THR N 9.430 0.470 . . 46 49 ASP N 12.040 0.600 . . 47 50 VAL N 13.140 0.660 . . 48 51 LEU N 10.430 0.520 . . 49 52 LEU N 10.560 0.530 . . 50 53 SER N 12.910 0.980 . . 51 54 ASP N 11.000 0.550 . . 52 59 GLY N 11.350 0.570 . . 53 63 LEU N 8.970 1.170 . . 54 64 ALA N 16.830 0.840 . . 55 65 LEU N 25.040 7.910 . . 56 68 GLN N 15.240 1.400 . . 57 69 ILE N 12.970 0.650 . . 58 70 LYS N 14.320 0.720 . . 59 71 GLN N 10.640 0.530 . . 60 72 ARG N 11.520 0.580 . . 61 73 HIS N 10.120 0.510 . . 62 75 MET N 9.410 0.470 . . 63 76 LEU N 10.190 0.510 . . 64 78 VAL N 17.450 0.870 . . 65 79 ILE N 14.920 0.750 . . 66 81 MET N 11.180 0.560 . . 67 82 THR N 18.020 0.900 . . 68 83 ALA N 10.870 0.540 . . 69 85 SER N 28.400 2.570 . . 70 86 ASP N 10.830 1.560 . . 71 87 LEU N 12.570 0.630 . . 72 88 ASP N 21.440 1.070 . . 73 89 ALA N 10.220 0.510 . . 74 90 ALA N 12.900 0.640 . . 75 91 VAL N 15.170 0.760 . . 76 92 SER N 15.890 0.790 . . 77 98 ALA N 18.600 0.930 . . 78 99 PHE N 36.600 7.260 . . 79 100 ASP N 13.810 0.690 . . 80 102 LEU N 22.460 1.120 . . 81 106 PHE N 11.000 0.550 . . 82 107 ASP N 9.240 0.460 . . 83 108 ILE N 9.330 0.470 . . 84 109 ASP N 11.340 0.570 . . 85 110 GLU N 9.320 0.470 . . 86 112 VAL N 9.600 0.480 . . 87 113 ALA N 9.580 0.480 . . 88 114 LEU N 11.100 0.560 . . 89 115 VAL N 11.400 0.570 . . 90 116 GLU N 9.820 0.490 . . 91 117 ARG N 11.460 0.570 . . 92 118 ALA N 11.020 0.750 . . 93 119 ILE N 10.360 0.520 . . 94 120 SER N 10.920 0.550 . . 95 121 HIS N 10.780 0.540 . . 96 122 TYR N 11.310 0.570 . . 97 123 GLN N 5.670 0.280 . . 98 124 GLU N 2.210 0.290 . . stop_ save_ save_T2_relaxation_600 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name 'NITROGEN REGULATION PROTEIN' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ARG N 6.320 0.380 . . 2 4 GLY N 5.420 0.330 . . 3 5 ILE N 6.840 0.410 . . 4 6 VAL N 7.790 0.470 . . 5 7 TRP N 8.170 0.490 . . 6 8 VAL N 7.960 0.480 . . 7 9 VAL N 8.200 0.490 . . 8 10 ASP N 7.870 0.470 . . 9 11 ASP N 9.450 0.570 . . 10 12 ASP N 10.600 0.640 . . 11 13 SER N 9.360 0.560 . . 12 14 SER N 8.090 0.490 . . 13 15 ILE N 8.150 0.490 . . 14 16 ARG N 10.830 0.650 . . 15 17 TRP N 9.260 0.560 . . 16 18 VAL N 9.040 0.540 . . 17 19 LEU N 11.730 0.700 . . 18 20 GLU N 7.320 0.440 . . 19 21 ARG N 10.840 0.650 . . 20 22 ALA N 8.680 0.520 . . 21 23 LEU N 8.550 0.510 . . 22 24 ALA N 8.000 0.480 . . 23 25 GLY N 7.600 0.460 . . 24 26 ALA N 7.220 0.430 . . 25 27 GLY N 6.550 0.390 . . 26 28 LEU N 7.580 0.450 . . 27 29 THR N 7.920 0.480 . . 28 30 CYS N 7.110 0.430 . . 29 31 THR N 7.590 0.460 . . 30 32 THR N 7.410 0.440 . . 31 33 PHE N 9.140 0.550 . . 32 34 GLU N 8.980 0.540 . . 33 35 ASN N 9.370 0.760 . . 34 36 GLY N 10.610 0.810 . . 35 37 ASN N 8.400 0.500 . . 36 38 GLU N 8.680 0.520 . . 37 39 VAL N 7.970 0.480 . . 38 40 LEU N 8.850 0.530 . . 39 41 ALA N 9.000 0.540 . . 40 42 ALA N 8.960 0.540 . . 41 43 LEU N 6.930 0.420 . . 42 44 ALA N 9.170 0.550 . . 43 45 SER N 8.980 0.540 . . 44 46 LYS N 8.040 0.480 . . 45 47 THR N 8.240 0.490 . . 46 49 ASP N 8.290 0.500 . . 47 50 VAL N 9.780 0.590 . . 48 51 LEU N 7.980 0.480 . . 49 52 LEU N 7.380 0.440 . . 50 53 SER N 9.550 0.950 . . 51 54 ASP N 8.080 0.480 . . 52 59 GLY N 9.310 0.560 . . 53 63 LEU N 7.860 1.440 . . 54 64 ALA N 11.690 0.700 . . 55 65 LEU N 16.780 2.490 . . 56 68 GLN N 10.680 0.640 . . 57 69 ILE N 9.130 0.550 . . 58 70 LYS N 10.020 0.600 . . 59 71 GLN N 8.240 0.490 . . 60 72 ARG N 10.280 0.620 . . 61 73 HIS N 7.270 0.440 . . 62 75 MET N 7.660 0.460 . . 63 76 LEU N 7.590 0.460 . . 64 78 VAL N 11.590 0.700 . . 65 79 ILE N 8.750 0.530 . . 66 81 MET N 7.980 0.480 . . 67 82 THR N 10.720 0.640 . . 68 83 ALA N 9.230 0.550 . . 69 85 SER N 15.510 1.500 . . 70 86 ASP N 6.650 0.840 . . 71 87 LEU N 7.480 0.450 . . 72 88 ASP N 12.700 0.760 . . 73 89 ALA N 8.600 0.520 . . 74 90 ALA N 9.580 0.570 . . 75 91 VAL N 9.410 0.560 . . 76 92 SER N 9.500 0.570 . . 77 98 ALA N 11.820 0.710 . . 78 99 PHE N 17.180 1.330 . . 79 100 ASP N 9.890 0.590 . . 80 102 LEU N 19.810 1.190 . . 81 106 PHE N 8.490 0.510 . . 82 107 ASP N 6.210 0.370 . . 83 108 ILE N 7.790 0.470 . . 84 109 ASP N 8.100 0.490 . . 85 110 GLU N 8.260 0.500 . . 86 112 VAL N 7.570 0.450 . . 87 113 ALA N 7.260 0.440 . . 88 114 LEU N 7.790 0.470 . . 89 115 VAL N 7.620 0.460 . . 90 116 GLU N 6.830 0.410 . . 91 117 ARG N 7.710 0.460 . . 92 118 ALA N 9.210 0.550 . . 93 119 ILE N 7.510 0.450 . . 94 120 SER N 9.320 0.560 . . 95 121 HIS N 8.370 0.500 . . 96 122 TYR N 8.760 0.530 . . 97 123 GLN N 5.220 0.310 . . 98 124 GLU N 2.830 0.250 . . stop_ save_ save_heteronuclear_NOE_750 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name 'NITROGEN REGULATION PROTEIN' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ARG 0.500 0.050 4 GLY 0.630 0.050 5 ILE 0.820 0.050 6 VAL 0.890 0.050 7 TRP 0.840 0.050 8 VAL 0.860 0.050 9 VAL 0.840 0.050 10 ASP 0.860 0.050 11 ASP 0.810 0.050 12 ASP 0.830 0.050 13 SER 0.820 0.050 14 SER 0.870 0.050 15 ILE 0.830 0.050 16 ARG 0.800 0.050 17 TRP 0.830 0.050 18 VAL 0.810 0.050 19 LEU 0.810 0.050 20 GLU 0.830 0.050 21 ARG 0.880 0.050 22 ALA 0.840 0.050 23 LEU 0.870 0.050 24 ALA 0.820 0.050 25 GLY 0.830 0.050 26 ALA 0.810 0.050 27 GLY 0.800 0.050 28 LEU 0.810 0.050 29 THR 0.790 0.050 30 CYS 0.800 0.050 31 THR 0.830 0.050 32 THR 0.800 0.050 33 PHE 0.830 0.050 34 GLU 0.770 0.050 35 ASN 0.760 0.050 36 GLY 0.820 0.050 37 ASN 0.780 0.050 38 GLU 0.810 0.050 39 VAL 0.870 0.050 40 LEU 0.830 0.050 41 ALA 0.820 0.050 42 ALA 0.820 0.050 43 LEU 0.830 0.050 44 ALA 0.800 0.050 45 SER 0.820 0.050 46 LYS 0.750 0.050 47 THR 0.700 0.050 49 ASP 0.840 0.050 50 VAL 0.860 0.050 51 LEU 0.850 0.050 52 LEU 0.880 0.050 53 SER 0.770 0.050 54 ASP 0.790 0.050 59 GLY 0.720 0.050 63 LEU 0.810 0.050 64 ALA 0.770 0.050 65 LEU 0.750 0.050 68 GLN 0.840 0.050 69 ILE 0.790 0.050 70 LYS 0.810 0.050 71 GLN 0.800 0.050 72 ARG 0.830 0.050 73 HIS 0.760 0.050 75 MET 0.780 0.050 76 LEU 0.830 0.050 78 VAL 0.770 0.050 79 ILE 0.890 0.050 81 MET 0.830 0.050 82 THR 0.810 0.050 83 ALA 1.000 0.200 85 SER 0.850 0.200 86 ASP 0.720 0.050 87 LEU 0.790 0.050 88 ASP 0.770 0.050 89 ALA 0.740 0.050 90 ALA 0.740 0.050 91 VAL 0.800 0.050 92 SER 0.770 0.050 98 ALA 0.770 0.050 99 PHE 0.550 0.050 100 ASP 0.780 0.050 102 LEU 0.810 0.050 106 PHE 0.820 0.050 107 ASP 0.800 0.050 108 ILE 0.810 0.050 109 ASP 0.830 0.050 110 GLU 0.820 0.050 112 VAL 0.860 0.050 113 ALA 0.800 0.050 114 LEU 0.800 0.050 115 VAL 0.830 0.050 116 GLU 0.850 0.050 117 ARG 0.840 0.050 118 ALA 0.850 0.050 119 ILE 0.830 0.050 120 SER 0.770 0.050 121 HIS 0.670 0.050 122 TYR 0.640 0.050 123 GLN 0.370 0.050 124 GLU -0.080 0.050 stop_ save_